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Prediction of Zn2(V, Nb, Ta)N3 Monolayers for Optoelectronic Applications.
Kistanov, Andrey A; Ustiuzhanina, Svetlana V; Baranava, Maryia S; Hvazdouski, Dzmitry Ch; Shcherbinin, Stepan A; Prezhdo, Oleg V.
Afiliación
  • Kistanov AA; The Laboratory of Metals and Alloys Under Extreme Impacts, Ufa University of Science and Technology, Ufa 450076, Russia.
  • Ustiuzhanina SV; Institute for Metals Superplasticity Problems, Russian Academy of Sciences, Ufa 450001, Russia.
  • Baranava MS; Belarusian State University of Informatics and Radio Electronics, Minsk 22013, Belarus.
  • Hvazdouski DC; Belarusian State University of Informatics and Radio Electronics, Minsk 22013, Belarus.
  • Shcherbinin SA; Peter the Great Saint Petersburg Polytechnical University, Saint Petersburg 195251, Russia.
  • Prezhdo OV; Institute for Problems in Mechanical Engineering RAS, Saint Petersburg 199178, Russia.
J Phys Chem Lett ; 14(49): 11134-11141, 2023 Dec 14.
Article en En | MEDLINE | ID: mdl-38052040
A new family of ternary nitride materials, Zn2(V, Nb, Ta)N3 monolayers, is predicted. A fabrication mechanism of the Zn2(V, Nb, Ta)N3 monolayers is proposed based on the chemical vapor deposition approach used for their bulk counterparts. The calculations show that these monolayers are thermodynamically and environmentally stable and that the Zn2VN3 monolayer is the most stable and the easiest to synthesize. The Zn2VN3 monolayer also has the highest strength and elasticity. The Zn2(V, Nb, Ta)N3 monolayers are semiconductors with nearly equal direct and indirect band gaps. Considering optoelectronic properties, the predicted monolayers are transparent to the visible light and provide shielding in the ultraviolet region. Thus, the predicted Zn2(V, Nb, Ta)N3 monolayers are promising for applications in LED devices and as blocking layers in tandem solar cells.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem Lett Año: 2023 Tipo del documento: Article País de afiliación: Rusia Pais de publicación: Estados Unidos
Texto completo
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Imprimir
XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem Lett Año: 2023 Tipo del documento: Article País de afiliación: Rusia Pais de publicación: Estados Unidos